Coupled folding-binding versus docking: A lattice model study
(2004) In Journal of Chemical Physics 120(8). p.3983-3989- Abstract
- Using a simple hydrophobic/polar protein model, we perform a Monte Carlo study of the thermodynamics and kinetics of binding to a target structure for two closely related sequences, one of which has a unique folded state while the other is unstructured. We obtain significant differences in their binding behavior. The stable sequence has rigid docking as its preferred binding mode, while the unstructured chain tends to first attach to the target and then fold. The free-energy profiles associated with these two binding modes are compared. (C) 2004 American Institute of Physics.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/281233
- author
- Gupta, N and Irbäck, Anders LU
- organization
- publishing date
- 2004
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 120
- issue
- 8
- pages
- 3983 - 3989
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- pmid:15268563
- wos:000189139700051
- scopus:12144289240
- ISSN
- 0021-9606
- DOI
- 10.1063/1.1643900
- language
- English
- LU publication?
- yes
- id
- 3f001ed0-981b-49df-8aec-c4ee0c09af91 (old id 281233)
- date added to LUP
- 2016-04-01 11:48:38
- date last changed
- 2024-01-07 21:22:43
@article{3f001ed0-981b-49df-8aec-c4ee0c09af91, abstract = {{Using a simple hydrophobic/polar protein model, we perform a Monte Carlo study of the thermodynamics and kinetics of binding to a target structure for two closely related sequences, one of which has a unique folded state while the other is unstructured. We obtain significant differences in their binding behavior. The stable sequence has rigid docking as its preferred binding mode, while the unstructured chain tends to first attach to the target and then fold. The free-energy profiles associated with these two binding modes are compared. (C) 2004 American Institute of Physics.}}, author = {{Gupta, N and Irbäck, Anders}}, issn = {{0021-9606}}, language = {{eng}}, number = {{8}}, pages = {{3983--3989}}, publisher = {{American Institute of Physics (AIP)}}, series = {{Journal of Chemical Physics}}, title = {{Coupled folding-binding versus docking: A lattice model study}}, url = {{http://dx.doi.org/10.1063/1.1643900}}, doi = {{10.1063/1.1643900}}, volume = {{120}}, year = {{2004}}, }